Vitas-M small molecule compound
methyl (2E)-5-(2-chlorophenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK861350
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C\c1cccc(c1)[N+](=O)[O-])/s2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H16ClN3O5S MW 469.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O5S/c1-12-18(21(28)31-2)19(15-8-3-4-9-16(15)23)25-20(27)17(32-22(25)24-12)11-13-6-5-7-14(10-13)26(29)30/h3-11,19H,1-2H3/b17-11+InChIKey
RLKLADUDWLZMDS-GZTJUZNOSA-NSynonyms
300377-60-0(E)methyl5(2chlorophenyl)7methyl2(3nitrobenzylidene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
300377600
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))SC2=N1)C4=CC=CC=C4Cl)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2
InChI=1SC22H16ClN3O5Sc11218(21(28)312)19(15834916(15)23)2520(27)17(3222(25)2412)111365714(1013)26(29)30h31119H12H3b1711+
methyl(2E)5(2chlorophenyl)7methyl2((3nitrophenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(2chlorophenyl)7methyl2(3nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01246414
ZINC000004509063
ZINC000004509066
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